BDBM50413879 CHEMBL482553

SMILES: NS(=O)(=O)c1cccc(c1)-c1ccnc2[nH]ccc12

InChI Key: InChIKey=HXQTWUKRVFVDEA-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50413879   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50413879 (CHEMBL482553) Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C13H11N3O2S/c14-19(17,18)10-3-1-2-9(8-10)11-4-6-15-13-12(11)5-7-16-13/h1-8H,(H,15,16)(H2,14,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human IKKbeta using GST-IkappaBalpha as substrate				Eur J Med Chem 63: 269-78 (2013) Article DOI: 10.1016/j.ejmech.2013.01.045 BindingDB Entry DOI: 10.7270/Q2XG9SHG
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50413879 (CHEMBL482553) Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C13H11N3O2S/c14-19(17,18)10-3-1-2-9(8-10)11-4-6-15-13-12(11)5-7-16-13/h1-8H,(H,15,16)(H2,14,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK1				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50413879 (CHEMBL482553) Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C13H11N3O2S/c14-19(17,18)10-3-1-2-9(8-10)11-4-6-15-13-12(11)5-7-16-13/h1-8H,(H,15,16)(H2,14,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human recombinant IKK2				Bioorg Med Chem Lett 19: 2504-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.034 BindingDB Entry DOI: 10.7270/Q2GF0VRN
					More data for this Ligand-Target Pair